Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 10Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39584
- Core Entity Id
- 74930
- Source Entity Count
- 1
- Preferred Name
- 1'-methoxy-2'-hydroxydihydromollugin
- Name En
- Pubchem Id
- 5319446
- Smiles Canonical
- CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)OC)O)C
- Molecular Formula
- C18H20O6
- Molecular Weight
- 332.3520
- Inchikey
- KUBJNPPCFQQXBA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H20O6/c1-18(2)16(20)15(22-3)12-11(17(21)23-4)13(19)9-7-5-6-8-10(9)14(12)24-18/h5-8,15-16,19-20H,1-4H3
- Isomeric Smiles
- CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)OC)O)C
- Cas Id
- Ob Score
- 26.7565
- Mol Logp
- 2.5514
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1'-Methoxy-2'-Hydroxydihydromollugin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1'-Methoxy-2'-hydroxydihydromollugin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1'-Methoxy-2'-hydroxydihydromollugin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1'-methoxy-2'-hydroxydihydromollugin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1'-methoxy-2'-hydroxydihydromollugin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1'-methoxy-2'-hydroxydihydromollugin
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSY3P
Role
alias
Source
TCMBank
Preferred
No
Name
methyl 3,6-dihydroxy-4-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5-carboxylate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AC1NSY3Pmethyl 3,6-dihydroxy-4-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002693
Npass
NPC80341
Tcmid
13947
Tcmsp
MOL003840
Sym Map
SMIT00963
Pub Chem
5319446
Tcmbank
TCMBANKIN025429
Etcm Ingredient
1'-Methoxy-2'-hydroxydihydromollugin
Itcmdb Generated
ITX-INGREDIENT-8E267F06F40A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H20O6/c1-18(2)16(20)15(22-3)12-11(17(21)23-4)13(19)9-7-5-6-8-10(9)14(12)24-18/h5-8,15-16,19-20H,1-4H3
Mol Wt
332.352
Smiles
CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)OC)O)C
Mol Log P
2.5514
Version
v1,v2
In Ch Ikey
KUBJNPPCFQQXBA-UHFFFAOYSA-N
Ob Score
26.7565429426.75654326.757
Suppress
0
Num Hdonors
2
Drug Likeness
0.822
Num Hacceptors
6
Isomeric Smiles
CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)OC)O)C
Molecule Weight
332.38
Canonical Smiles
CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)OC)O)C
Molecular Weight
332.130
Molecular Weight
332.38
Molecule Formula
C18H20O6
Molecular Formula
C18H20O6
Molecular Formula
C18H20O6
Molecular Formula
C18H20O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.135
Quantitative Estimate Of Drug Likeness（Qed）
0.822